SCHEMBL4191708

SCHEMBL4191708

O=C1c2c(NCCN3CCOC3c3ccccn3)ccc(NCCN3CCOC3c3ccccn3)c2C(=O)c2c(NCCN3CCOC3c3ccccn3)ccc(NCCN3CCOC3c3ccccn3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
MITF O75030 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
SMARCA2 P51531 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
DRD4 P21917 4/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11186293 0.94 CYP19A1 (0.40) KMT2AMEN1POLBMITFLMNA
SCHEMBL4198995 0.82 MEN1 (0.37) KMT2AMEN1POLBLMNAL3MBTL1
SCHEMBL4190666 0.81 KMT2A (0.32) KMT2AMEN1POLBLMNASMARCA2
SCHEMBL4200315 0.81 KDM4E (0.42) KMT2AMEN1LMNAL3MBTL1ADRA1A
SCHEMBL4188789 0.79 KDM4E (0.35) KMT2AMEN1LMNAL3MBTL1BLM
SCHEMBL4199075 0.79 DRD2 (0.38) KMT2AMEN1POLBMITFLMNA
SCHEMBL4189302 0.77 MEN1 (0.33) KMT2AMEN1POLBPIK3CANSD2
SCHEMBL4193611 0.77 SLC6A4 (0.38) KMT2AMEN1POLBMITFLMNA
SCHEMBL11178298 0.77 CYP19A1 (0.44) KMT2AMEN1POLBLMNAL3MBTL1
SCHEMBL4194353 0.77 CYP19A1 (0.32) KMT2AMEN1POLBLMNAL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone ISHMAEL D RICHARD 2009-06-18 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156807-A1 Anti-tumor Compounds Derived From 1,4,5,8-tetrachloroanthraquinone CASP4, CASP8, CASP1 KMT2A 2406/4885MEN1 2002/4885POLB 2943/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.